This node searches for frequent molecular fragments in a set of molecules. The algorithm used is Christian Borgelt's MoSS implementation.
Options
Input options
Mining options
MoSS options
Popular Predecessors
- Bootstrap Sampling6 %
- Molecule Type Cast5 %
Number To String5 %CSV Reader5 %- Molecule to CDK4 %
- Row Filter3 %
- MoSS3 %
- RDKit Canon SMILES3 %
- Concatenate3 %
- MolConverter3 %
- Group Loop Start2 %
File Reader2 %Counting Loop Start2 %- SDF Reader2 %
- Java Snippet (simple)2 %
- Molecular Properties2 %
Column Rename2 %- Fingerprint Similarity2 %
- RDKit Substructure Filter2 %
- ChemSpider2 %
- Constant Value Column2 %
- Fingerprint Bayesian Predictor2 %
- Number to String2 %
Joiner1 %- OpenBabel1 %
- Scatter Plot (JavaScript)1 %
Python Script (2⇒1)1 %- RDKit Diversity Picker1 %
- Smiles Directory Reader1 %
- Substructure Search1 %
- RDKit Salt Stripper< 1 %
- RDKit Find Murcko Scaffolds< 1 %
- Substructure Matcher< 1 %
Table Row to Variable< 1 %- Table Creator< 1 %
Concatenate (Optional in)< 1 %String To Number< 1 %- Column Filter< 1 %
- Row Sampling< 1 %
- Rule-based Row Filter< 1 %
- Rule Engine< 1 %
- RDKit From Molecule< 1 %
- Equal Size Sampling< 1 %
- Missing Value Column Filter< 1 %
- Row Splitter< 1 %
- Partitioning< 1 %
- RowID< 1 %
- Fingerprint Bayesian Learner< 1 %
- CSV Reader< 1 %
- Joiner< 1 %
Variable to Table Column< 1 %Loop End< 1 %- GroupBy< 1 %
- Rule-based Row Splitter< 1 %
- MoSS MCSS Molecule Similarity< 1 %
Excel Reader (XLS)< 1 %Excel Reader (XLS)< 1 %- RDKit Descriptor Calculation< 1 %
- RDKit Molecule Catalog Filter< 1 %
- RDKit Optimize Geometry< 1 %
- Hydrogen Adder< 1 %
- LigPrep< 1 %
- FASTA Sequence Extractor< 1 %
Recursive Loop Start (2 ports)< 1 %- Auto-Binner< 1 %
- Numeric Binner< 1 %
- Number to Category (Apply)< 1 %
Column Appender< 1 %- Column Merger< 1 %
- Normalizer (PMML)< 1 %
- Empty Table Switch< 1 %
- SDF Extractor< 1 %
- SDF Inserter< 1 %
- Parallel Chunk End< 1 %
- Counter Generation< 1 %
- Random Number Assigner< 1 %
- Math Formula< 1 %
Python Script (1⇒2)< 1 %Python Script (2⇒2)< 1 %Python Script (1⇒1)< 1 %- Fingerprints< 1 %
- RDKit From InChI< 1 %
- RDKit Fingerprint< 1 %
- RDKit To Molecule< 1 %
- Smiles Reader< 1 %
- Column Filter (PMML)< 1 %
- Missing Value< 1 %
- Value Counter< 1 %
- Value Filter Definition (legacy)< 1 %
Views
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Workflows
01_Example_for_using_MoSSKNIME Hub- 01_Example_for_using_MoSSKNIME Hub
- 01_Example_for_using_MoSSKNIME Hub
- 05_DrugBank_Network_analysisKNIME Hub
Links
- No links available
Developers
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